| 1 | M | 47.1 | Very low | 58 | Low | 243 Ų | 243 | 146.4 Ų | 146.4 | 100% | 1.197 | 79% | 0.789 | S | S | * | * | | | | 0 | 103.3 | 0 | -90.9 | 172.5 | 160.4 | 0 | 0 | 107.8 | | |
| 2 | C | 50.1 | Low | 58.6 | Low | 126 Ų | 126 | 145.2 Ų | 145.2 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -134.1 | 107.4 | 172.7 | -60.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 3 | I | 59 | Low | 59.3 | Low | 176 Ų | 176 | 145.4 Ų | 145.4 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | | | trans | -134.7 | 78.5 | 153.9 | -34.5 | 174.9 | 0 | 0 | 0 | 104.8 | | |
| 4 | A | 61 | Low | 60 | Low | 75 Ų | 75 | 148.1 Ų | 148.1 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | | | trans | -70.6 | 147.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 5 | N | 61.2 | Low | 60.8 | Low | 151 Ų | 151 | 148.7 Ų | 148.7 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | 119.4 | 65.1 | 158.2 | -53.9 | -25.1 | 0 | 0 | 0 | 116 | | |
| 6 | E | 63.2 | Low | 61.6 | Low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | | | trans | -140.4 | 72.6 | 146.4 | -65.2 | -168.3 | -165.3 | 0 | 0 | 109 | P8 | E6-P8 WeakPolarHBondContact O-CD 2.86Å; E6-P8 VanDerWaalsContact O-CD 3.32Å |
| 7 | R | 59.5 | Low | 62.2 | Low | 225 Ų | 225 | 141.5 Ų | 141.5 | 85% | 0.849 | 73% | 0.727 | S | S | * | * | | | trans | -77.5 | 116.1 | 158.7 | -74 | -170.9 | -67.4 | -161 | -1.4 | 105.8 | V9 | R7-V9 VanDerWaalsContact C-N 3.32Å; R7-V9 HydrophobicContact CB-CG2 4.38Å; R7-V9 VanDerWaalsContact O-CG2 3.24Å; R7-V9 WeakPolarHBondContact O-CG2 3.47Å; R7-V9 PolarHBondContact O-N 3.21Å |
| 8 | P | 60.7 | Low | 62.6 | Low | 124 Ų | 124 | 138.4 Ų | 138.4 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | | | trans | -67.8 | 97.5 | 170.6 | 26.6 | -30.6 | 0 | 0 | 0 | 107.6 | E6 | E6-P8 WeakPolarHBondContact O-CD 2.86Å; E6-P8 VanDerWaalsContact O-CD 3.32Å |
| 9 | V | 55.1 | Low | 63 | Low | 95 Ų | 95 | 134.6 Ų | 134.6 | 58% | 0.576 | 69% | 0.693 | S | S | * | * | | | trans | -82.7 | 139.9 | 175.7 | -153.3 | 0 | 0 | 0 | 0 | 107.8 | R7 T11 | R7-V9 VanDerWaalsContact C-N 3.32Å; R7-V9 HydrophobicContact CB-CG2 4.38Å; R7-V9 VanDerWaalsContact O-CG2 3.24Å; R7-V9 WeakPolarHBondContact O-CG2 3.47Å; R7-V9 PolarHBondContact O-N 3.21Å; V9-T11 PolarHBondContact O-N 3.41Å |
| 10 | D | 58 | Low | 63.2 | Low | 94 Ų | 94 | 132.6 Ų | 132.6 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | S | Bend | trans | 85.9 | -6 | 153.9 | -50.1 | -48.2 | 0 | 0 | 0 | 121.1 | | |
| 11 | T | 63.4 | Low | 63.4 | Low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.5 | -40.6 | 179.6 | -34.1 | 0 | 0 | 0 | 0 | 112.5 | V9 Y15 | V9-T11 PolarHBondContact O-N 3.41Å; T11-Y15 PolarHBondContact O-N 3.31Å |
| 12 | D | 65.3 | Low | 64.2 | Low | 132 Ų | 132 | 130.5 Ų | 130.5 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.9 | -40.2 | -174.8 | -78.1 | -38.5 | 0 | 0 | 0 | 112.8 | Y15 L16 | D12-Y15 PolarHBondContact O-N 3.26Å; D12-L16 VanDerWaalsContact O-CG 3.31Å; D12-L16 WeakPolarHBondContact O-CG 3.47Å; D12-L16 PolarHBondContact O-N 2.92Å |
| 13 | E | 67.8 | Low | 64.8 | Low | 148 Ų | 148 | 129.8 Ų | 129.8 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.1 | -41.4 | -178.5 | -67.1 | -150.6 | 167.7 | 0 | 0 | 112.4 | Y15 L16 V17 | E13-Y15 VanDerWaalsContact C-N 3.32Å; E13-Y15 PolarHBondContact O-N 3.04Å; E13-L16 PolarHBondContact O-N 3.17Å; E13-V17 PolarHBondContact O-N 3.05Å; E13-V17 WeakPolarHBondContact O-CG2 3.45Å; E13-V17 VanDerWaalsContact O-CG2 3.3Å |
| 14 | R | 68.4 | Low | 65.1 | Low | 183 Ų | 183 | 127.6 Ų | 127.6 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.8 | -41.4 | 176.7 | -70.5 | -172.1 | -156.3 | -173.4 | 7.3 | 111.7 | L16 V17 D18 | R14-L16 PolarHBondContact O-N 3.42Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-V17 PolarHBondContact O-N 3.01Å; R14-D18 PolarHBondContact O-N 2.93Å; R14-D18 VanDerWaalsContact O-N 3.15Å |
| 15 | Y | 72.9 | Confident | 65.2 | Low | 157 Ų | 157 | 130.7 Ų | 130.7 | 62% | 0.616 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63 | -41.6 | 179.2 | -172.8 | -107.6 | 0 | 0 | 0 | 111.8 | T11 D12 E13 D18 I19 | T11-Y15 PolarHBondContact O-N 3.31Å; D12-Y15 PolarHBondContact O-N 3.26Å; E13-Y15 VanDerWaalsContact C-N 3.32Å; E13-Y15 PolarHBondContact O-N 3.04Å; Y15-D18 PolarHBondContact O-N 2.91Å; Y15-I19 HydrophobicContact CE1-CG1 4.49Å; Y15-I19 PolarHBondContact O-N 3.3Å; Y15-I19 WeakPolarHBondContact O-CG1 3.3Å; Y15-I19 HydrophobicContact CE2-CD1 4.46Å; Y15-I19 HydrophobicContact CE1-CD1 3.37Å; Y15-I19 HydrophobicContact CD1-CD1 3.8Å |
| 16 | L | 72.9 | Confident | 65.3 | Low | 102 Ų | 102 | 131.5 Ų | 131.5 | 53% | 0.534 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.8 | -37.5 | 176.3 | -70.2 | 172 | 0 | 0 | 0 | 112.9 | D12 E13 R14 N20 | D12-L16 VanDerWaalsContact O-CG 3.31Å; D12-L16 WeakPolarHBondContact O-CG 3.47Å; D12-L16 PolarHBondContact O-N 2.92Å; E13-L16 PolarHBondContact O-N 3.17Å; R14-L16 PolarHBondContact O-N 3.42Å; R14-L16 VanDerWaalsContact C-N 3.34Å; L16-N20 PolarHBondContact O-N 3.43Å; L16-N20 VanDerWaalsContact O-N 3.09Å; L16-N20 PolarHBondContact O-ND2 3.09Å |
| 17 | V | 72.3 | Confident | 65.4 | Low | 73 Ų | 73 | 128 Ų | 128 | 44% | 0.442 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.5 | -42.3 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | E13 R14 N20 K21 | E13-V17 PolarHBondContact O-N 3.05Å; E13-V17 WeakPolarHBondContact O-CG2 3.45Å; E13-V17 VanDerWaalsContact O-CG2 3.3Å; R14-V17 PolarHBondContact O-N 3.01Å; V17-N20 PolarHBondContact O-N 3.07Å; V17-K21 PolarHBondContact O-N 3.29Å; V17-K21 VanDerWaalsContact O-N 3.12Å; V17-K21 HydrophobicContact CG1-CD 4.44Å; V17-K21 WeakPolarHBondContact O-CG 3.31Å |
| 18 | D | 69.1 | Low | 65.7 | Low | 86 Ų | 86 | 127.7 Ų | 127.7 | 46% | 0.46 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.2 | -37.6 | 179.8 | -85.7 | -10.4 | 0 | 0 | 0 | 112.7 | R14 Y15 K21 R22 | R14-D18 PolarHBondContact O-N 2.93Å; R14-D18 VanDerWaalsContact O-N 3.15Å; Y15-D18 PolarHBondContact O-N 2.91Å; D18-K21 PolarHBondContact O-N 3.42Å; D18-R22 PolarHBondContact O-N 3.24Å |
| 19 | I | 69.6 | Low | 66 | Low | 67 Ų | 67 | 131 Ų | 131 | 34% | 0.344 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.8 | -42 | 174.1 | -66.4 | 171 | 0 | 0 | 0 | 110.7 | Y15 K21 R22 K23 | Y15-I19 HydrophobicContact CE1-CG1 4.49Å; Y15-I19 PolarHBondContact O-N 3.3Å; Y15-I19 WeakPolarHBondContact O-CG1 3.3Å; Y15-I19 HydrophobicContact CE2-CD1 4.46Å; Y15-I19 HydrophobicContact CE1-CD1 3.37Å; Y15-I19 HydrophobicContact CD1-CD1 3.8Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.32Å; I19-R22 PolarHBondContact O-N 3.44Å; I19-K23 PolarHBondContact O-N 3.24Å |
| 20 | N | 67.7 | Low | 66.4 | Low | 93 Ų | 93 | 129.5 Ų | 129.5 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.3 | -33.6 | -179.9 | -88.5 | -38.9 | 0 | 0 | 0 | 113.4 | L16 V17 R22 | L16-N20 PolarHBondContact O-N 3.43Å; L16-N20 VanDerWaalsContact O-N 3.09Å; L16-N20 PolarHBondContact O-ND2 3.09Å; V17-N20 PolarHBondContact O-N 3.07Å; N20-R22 VanDerWaalsContact C-N 3.33Å; N20-R22 PolarHBondContact O-N 3.43Å |
| 21 | K | 67.7 | Low | 66.7 | Low | 143 Ų | 143 | 134.9 Ų | 134.9 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.2 | -35.8 | 175.1 | -71.7 | 174.1 | -176.7 | 168.5 | 0 | 112.3 | V17 D18 I19 | V17-K21 PolarHBondContact O-N 3.29Å; V17-K21 VanDerWaalsContact O-N 3.12Å; V17-K21 HydrophobicContact CG1-CD 4.44Å; V17-K21 WeakPolarHBondContact O-CG 3.31Å; D18-K21 PolarHBondContact O-N 3.42Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.32Å |
| 22 | R | 62.7 | Low | 66.6 | Low | 189 Ų | 189 | 140.3 Ų | 140.3 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.8 | -19.2 | -175.8 | -69.4 | -179.8 | -177 | -179.6 | 3.3 | 114.8 | D18 I19 N20 H24 | D18-R22 PolarHBondContact O-N 3.24Å; I19-R22 PolarHBondContact O-N 3.44Å; N20-R22 VanDerWaalsContact C-N 3.33Å; N20-R22 PolarHBondContact O-N 3.43Å; R22-H24 PolarHBondContact O-N 3.48Å; R22-H24 VanDerWaalsContact O-N 3.07Å |
| 23 | K | 63.8 | Low | 66.5 | Low | 112 Ų | 112 | 142.7 Ų | 142.7 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | -13.8 | -175.8 | -74.4 | -170.8 | -178.5 | 178.7 | 0 | 115.1 | I19 Y26 | I19-K23 PolarHBondContact O-N 3.24Å; K23-Y26 WeakPolarHBondContact O-CD1 3.32Å; K23-Y26 WeakPolarHBondContact O-CE1 3.24Å |
| 24 | H | 65.3 | Low | 66.4 | Low | 129 Ų | 129 | 142 Ų | 142 | 60% | 0.597 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 6.1 | -171.2 | -58.6 | 101.2 | 0 | 0 | 0 | 114.4 | R22 | R22-H24 PolarHBondContact O-N 3.48Å; R22-H24 VanDerWaalsContact O-N 3.07Å |
| 25 | E | 62.2 | Low | 66.1 | Low | 140 Ų | 140 | 140.6 Ų | 140.6 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -74 | -31.4 | -178.7 | -65.1 | -159.4 | -179.5 | 0 | 0 | 113.4 | L27 | E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.12Å |
| 26 | Y | 64.7 | Low | 65.5 | Low | 168 Ų | 168 | 140.9 Ų | 140.9 | 66% | 0.659 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -12.6 | -177.1 | 63.6 | -97.7 | 0 | 0 | 0 | 114.5 | K23 R28 | K23-Y26 WeakPolarHBondContact O-CD1 3.32Å; K23-Y26 WeakPolarHBondContact O-CE1 3.24Å; Y26-R28 VanDerWaalsContact C-N 3.31Å; Y26-R28 PolarHBondContact O-N 3.46Å |
| 27 | L | 63.9 | Low | 64.9 | Low | 122 Ų | 122 | 142.7 Ų | 142.7 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 19.8 | 179.4 | -92.3 | 141.7 | 0 | 0 | 0 | 113.6 | E25 F29 | E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.12Å; L27-F29 PolarHBondContact O-N 3.43Å; L27-F29 VanDerWaalsContact C-N 3.27Å |
| 28 | R | 66 | Low | 64.4 | Low | 217 Ų | 217 | 149.8 Ų | 149.8 | 82% | 0.819 | 67% | 0.67 | S | S | * | * | | | trans | -90.5 | 38.8 | 176 | -67.4 | -178.5 | 166.3 | -123.6 | 0.7 | 113 | Y26 G30 | Y26-R28 VanDerWaalsContact C-N 3.31Å; Y26-R28 PolarHBondContact O-N 3.46Å; R28-G30 PolarHBondContact O-N 3.15Å |
| 29 | F | 67.2 | Low | 64.1 | Low | 193 Ų | 193 | 155.2 Ų | 155.2 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | | | trans | -65.7 | 100.2 | 172.2 | -83.1 | -82.2 | 0 | 0 | 0 | 110.8 | L27 | L27-F29 PolarHBondContact O-N 3.43Å; L27-F29 VanDerWaalsContact C-N 3.27Å |
| 30 | G | 64.6 | Low | 63.7 | Low | 64 Ų | 64 | 155.3 Ų | 155.3 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | | | trans | 53.5 | 68.3 | 132.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | R28 R32 | R28-G30 PolarHBondContact O-N 3.15Å; G30-R32 PolarHBondContact O-N 3.36Å |
| 31 | K | 64 | Low | 63.4 | Low | 207 Ų | 207 | 160.7 Ų | 160.7 | 90% | 0.9 | 73% | 0.726 | S | S | * | * | | | trans | -72.6 | 67.7 | 155.3 | -66.6 | -166.4 | -179.1 | -175.6 | 0 | 110.2 | | |
| 32 | R | 61.1 | Low | 63 | Low | 221 Ų | 221 | 164.7 Ų | 164.7 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | trans | -98.2 | 110.4 | 166 | -73.1 | -171.2 | 77.6 | 130.7 | -4.9 | 108.7 | G30 | G30-R32 PolarHBondContact O-N 3.36Š|
| 33 | K | 63.1 | Low | 62.9 | Low | 183 Ų | 183 | 163.3 Ų | 163.3 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | trans | -64 | 147 | -168.1 | -67.3 | -176.2 | 173 | -176.2 | 0 | 111.1 | E35 | K33-E35 PolarHBondContact O-N 3.48Š|
| 34 | H | 64.4 | Low | 62.8 | Low | 134 Ų | 134 | 165 Ų | 165 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | | | trans | -53.6 | 104.7 | 176.7 | -52.5 | 169.4 | 0 | 0 | 0 | 111.5 | Y36 | H34-Y36 HydrophobicContact CB-CE1 4.21Š|
| 35 | E | 62.1 | Low | 62.6 | Low | 152 Ų | 152 | 166.1 Ų | 166.1 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -88.3 | -10.2 | 170.7 | -83.3 | 148.1 | -178 | 0 | 0 | 112.5 | K33 L37 | K33-E35 PolarHBondContact O-N 3.48Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.33Å |
| 36 | Y | 62.2 | Low | 62.6 | Low | 164 Ų | 164 | 167.1 Ų | 167.1 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -80.3 | -7.4 | -179.7 | 59.1 | -96.1 | 0 | 0 | 0 | 114.7 | H34 R38 | H34-Y36 HydrophobicContact CB-CE1 4.21Å; Y36-R38 PolarHBondContact O-N 3.06Å |
| 37 | L | 58.7 | Low | 62.4 | Low | 140 Ų | 140 | 166.9 Ų | 166.9 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -84.1 | 28.9 | 174.2 | -115.9 | 82.2 | 0 | 0 | 0 | 113.7 | E35 | E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.33Å |
| 38 | R | 61.9 | Low | 62.4 | Low | 222 Ų | 222 | 172.8 Ų | 172.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -100.6 | -0.7 | 175 | -80.3 | -173.4 | 161.3 | -147.2 | -2 | 114.7 | Y36 | Y36-R38 PolarHBondContact O-N 3.06Š|
| 39 | F | 63.3 | Low | 62.4 | Low | 200 Ų | 200 | 172.4 Ų | 172.4 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -95.2 | 107.6 | 174.6 | -68.6 | -80.4 | 0 | 0 | 0 | 110 | | |
| 40 | G | 60.7 | Low | 62.1 | Low | 68 Ų | 68 | 170.5 Ų | 170.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | 164.4 | -18.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | R42 | G40-R42 PolarHBondContact O-N 3.36Š|
| 41 | K | 61.2 | Low | 62 | Low | 207 Ų | 207 | 175.8 Ų | 175.8 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | | | trans | -80.5 | 51.3 | 173.9 | -64.9 | -167.1 | -179.8 | -174.1 | 0 | 111.8 | K43 | K41-K43 PolarHBondContact O-N 3.43Š|
| 42 | R | 60 | Low | 61.9 | Low | 226 Ų | 226 | 174.2 Ų | 174.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -82.9 | 95.3 | 157.9 | -90.2 | -175.8 | 163.4 | 131.5 | -3.5 | 106.2 | G40 H44 | G40-R42 PolarHBondContact O-N 3.36Å; R42-H44 PolarHBondContact O-CD2 3.05Å; R42-H44 PolarHBondContact O-N 3.3Å |
| 43 | K | 61.5 | Low | 61.9 | Low | 160 Ų | 160 | 171.6 Ų | 171.6 | 70% | 0.696 | 82% | 0.815 | S | S | * | * | | | trans | -49.5 | 110.5 | 172.4 | -60 | -179.5 | 169.1 | -168.8 | 0 | 108.4 | K41 E45 | K41-K43 PolarHBondContact O-N 3.43Å; K43-E45 HydrophobicContact CB-CG 4.13Å; K43-E45 IonicContact NZ-OE1 3.77Å; K43-E45 PolarHBondContact O-N 3.46Å |
| 44 | H | 61.7 | Low | 61.8 | Low | 148 Ų | 148 | 170.9 Ų | 170.9 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | | | trans | -75.4 | 81.2 | 163.5 | -67.7 | 178.9 | 0 | 0 | 0 | 106.9 | R42 Y46 | R42-H44 PolarHBondContact O-CD2 3.05Å; R42-H44 PolarHBondContact O-N 3.3Å; H44-Y46 VanDerWaalsContact C-N 3.28Å; H44-Y46 HydrophobicContact CB-CE2 4.11Å; H44-Y46 AromaticContact CD2-CZ 3.94Å; H44-Y46 PolarHBondContact CD2-OH 2.89Å; H44-Y46 PolarHBondContact O-N 3.3Å |
| 45 | E | 61.1 | Low | 61.7 | Low | 152 Ų | 152 | 173.2 Ų | 173.2 | 71% | 0.71 | 83% | 0.828 | S | S | * | * | | | trans | -87.9 | 71.4 | 166.9 | -69.8 | -163.1 | -157.6 | 0 | 0 | 108.9 | K43 | K43-E45 HydrophobicContact CB-CG 4.13Å; K43-E45 IonicContact NZ-OE1 3.77Å; K43-E45 PolarHBondContact O-N 3.46Å |
| 46 | Y | 60.4 | Low | 61.6 | Low | 161 Ų | 161 | 174.6 Ų | 174.6 | 63% | 0.631 | 84% | 0.836 | S | S | * | * | | | trans | -161.4 | 65.9 | 169 | 32.4 | -97 | 0 | 0 | 0 | 109.4 | H44 | H44-Y46 VanDerWaalsContact C-N 3.28Å; H44-Y46 HydrophobicContact CB-CE2 4.11Å; H44-Y46 AromaticContact CD2-CZ 3.94Å; H44-Y46 PolarHBondContact CD2-OH 2.89Å; H44-Y46 PolarHBondContact O-N 3.3Å |
| 47 | L | 62.4 | Low | 61.6 | Low | 163 Ų | 163 | 175.4 Ų | 175.4 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | | | trans | -168 | 72.5 | 158.6 | -128.2 | 71.1 | 0 | 0 | 0 | 111.1 | | |
| 48 | R | 63.7 | Low | 61.8 | Low | 246 Ų | 246 | 178.1 Ų | 178.1 | 93% | 0.928 | 86% | 0.859 | S | S | * | * | | | trans | -131 | 68.4 | 154.9 | -66.6 | -169.2 | -177.5 | -77.2 | -0 | 108 | | |
| 49 | F | 65.6 | Low | 61.8 | Low | 209 Ų | 209 | 174.4 Ų | 174.4 | 92% | 0.917 | 86% | 0.861 | S | S | * | * | | | trans | -104.2 | 111.4 | 157.8 | -78.2 | -84.1 | 0 | 0 | 0 | 105.3 | | |
| 50 | G | 60.3 | Low | 61.7 | Low | 153 Ų | 153 | 172.1 Ų | 172.1 | 100% | 1.577 | 86% | 0.859 | S | S | * | * | | | trans | 156 | 0 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |